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Triplet correlations in the hydration shell of aquaions

✍ Scribed by Adriano Filipponi; Paola D'Angelo; Nicolae Viorel Pavel; Andrea Di Cicco

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
530 KB
Volume
225
Category
Article
ISSN
0009-2614

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✦ Synopsis

The presence of angular O-ion-O correlations in the hydration shell of dilute water solutions of Cu*+ and Br-is investigated by means of an X-ray absorption experiment. An advanced data analysis including multiple-scattering effects produced quantitative information on these triplet correlations; the complementarity with X-ray and neutron diffraction is discussed. The experimental spectra indicate that Cu2+ has a Jahn-Teller distorted octahedral coordination, while the hydration shell of Br-is more disordered and substantially dominated by excluded volume effects.

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The first-and second-order diagrams of the triplet mean force Potential expansion by the pair correlation functions are calculated for the molten silver selenide. The adequacy of the expansion is analyzed and compared with available molecular dynamics simulation data.